SCHEMBL30962814

SCHEMBL30962814

COc1nc(Cl)ncc1C(=O)Nc1c(Br)cccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 3/20 0.45
▸ DHODH Q02127 2/20 0.38
▸ PDE4B Q07343 6/20 0.37
▸ PDE4A P27815 5/20 0.37
▸ PDE4C Q08493 5/20 0.37
▸ PDE4D Q08499 5/20 0.37
▸ POLQ O75417 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ ATF1 P18846 1/20 0.37
▸ GAA P10253 1/20 0.35
▸ XPO1 O14980 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ JUN P05412 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30962863 0.89 NFKB1 (0.42) PIN1PDE4BPDE4APDE4CPDE4D
SCHEMBL30962582 0.86 CHRNA7 (0.41) PDE4BPDE4APDE4CPDE4DNFKB1
SCHEMBL30962872 0.84 NFKB1 (0.39) PIN1PDE4BPDE4APDE4CPDE4D
SCHEMBL30962625 0.84 PDE4D (0.47) DHODHPDE4BPDE4APDE4CPDE4D
SCHEMBL30962815 0.80 CHRNA7 (0.40) PIN1PDE4BPDE4APDE4CPDE4D
SCHEMBL30962730 0.80 POLB (0.46) PDE4BPDE4APDE4CPDE4DNFKB1
SCHEMBL30962740 0.76 CHRNA7 (0.38) PIN1PDE4BPDE4APDE4CPDE4D
SCHEMBL30962894 0.76 CHRNA7 (0.48) PIN1PDE4BPDE4APDE4CPDE4D
SCHEMBL30962916 0.75 GAA (0.46) DHODHGAAXPO1NPC1
SCHEMBL30962629 0.74 NFKB1 (0.44) PIN1NFKB1ATF1XPO1JUN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 — — EP disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
Send feedback